N-[[4-(hydroxycarbamoyl)phenyl]methyl]-1,1a,6,6a-tetrahydrocyclopropa[a]indene-1-carboxamide

C19H18N2O3 — CID 167873169

IUPACN-[[4-(hydroxycarbamoyl)phenyl]methyl]-1,1a,6,6a-tetrahydrocyclopropa[a]indene-1-carboxamide
SMILESO=C(NO)c1ccc(CNC(=O)C2C3Cc4ccccc4C32)cc1
InChIInChI=1S/C19H18N2O3/c22-18(21-24)12-7-5-11(6-8-12)10-20-19(23)17-15-9-13-3-1-2-4-14(13)16(15)17/h1-8,15-17,24H,9-10H2,(H,20,23)(H,21,22)
InChIKeyKBZMGBIXMHSVRT-UHFFFAOYSA-N
MW322.36 g/mol
LogP2.01
Rot. Bonds4

About N-[[4-(hydroxycarbamoyl)phenyl]methyl]-1,1a,6,6a-tetrahydrocyclopropa[a]indene-1-carboxamide

N-[[4-(hydroxycarbamoyl)phenyl]methyl]-1,1a,6,6a-tetrahydrocyclopropa[a]indene-1-carboxamide (PubChem CID 167873169) has the molecular formula C19H18N2O3 and a molecular weight of 322.36 g/mol. Its IUPAC name is N-[[4-(hydroxycarbamoyl)phenyl]methyl]-1,1a,6,6a-tetrahydrocyclopropa[a]indene-1-carboxamide.

Molecular Properties

Compound NameN-[[4-(hydroxycarbamoyl)phenyl]methyl]-1,1a,6,6a-tetrahydrocyclopropa[a]indene-1-carboxamide
PubChem CID167873169
Molecular FormulaC19H18N2O3
Molecular Weight322.36 g/mol
Exact Mass322.13
IUPAC NameN-[[4-(hydroxycarbamoyl)phenyl]methyl]-1,1a,6,6a-tetrahydrocyclopropa[a]indene-1-carboxamide
SMILESO=C(NO)c1ccc(CNC(=O)C2C3Cc4ccccc4C32)cc1
InChIInChI=1S/C19H18N2O3/c22-18(21-24)12-7-5-11(6-8-12)10-20-19(23)17-15-9-13-3-1-2-4-14(13)16(15)17/h1-8,15-17,24H,9-10H2,(H,20,23)(H,21,22)
InChIKeyKBZMGBIXMHSVRT-UHFFFAOYSA-N
XLogP2.01
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 52.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[4-(1,1a,6,6a-tetrahydrocyclopropa[a]indene-1-carbonylamino)phenyl]acetic acid
CID 136556334
4-[(1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-ylamino)methyl]benzoic acid
CID 122034357
N-[[4-[(2,3-dihydro-1H-indene-2-carbonylamino)methyl]phenyl]methyl]-2,3-dihydro-1H-indene-2-carboxamide
CID 155137344
[4-(hydroxycarbamoyl)phenyl]methylcarbamic acid
CID 87544855
3-[4-(1,1a,6,6a-tetrahydrocyclopropa[a]indene-1-carbonylamino)phenyl]-2-methylpropanoic acid
CID 154743467
3-[3-(1,1a,6,6a-tetrahydrocyclopropa[a]indene-1-carbonylamino)phenyl]propanoic acid
CID 146136994
N-[[4-(hydroxycarbamoyl)phenyl]methyl]-1H-isoquinoline-2-carboxamide
CID 10286523
4-[2-[[(1R,1aR,6aR)-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl]amino]-2-oxoethyl]benzoic acid
CID 129469957
(1S,2R,10R,11S)-pentacyclo[9.7.0.02,10.03,8.013,18]octadeca-3,5,7,13,15,17-hexaene
CID 102463756
N-[[4-(hydroxycarbamoyl)phenyl]methyl]naphthalene-1-carboxamide
CID 10125717
(1R,2R)-1-methyl-N-[[4-[[[(1R,2R)-1-methyl-1,2,3,4-tetrahydronaphthalene-2-carbonyl]amino]methyl]phenyl]methyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 155468589
tert-butyl (1S,1aR,6aS)-1,1a,6,6a-tetrahydrocyclopropa[a]indene-1-carboxylate
CID 101004961

Frequently Asked Questions

What is the IUPAC name of N-[[4-(hydroxycarbamoyl)phenyl]methyl]-1,1a,6,6a-tetrahydrocyclopropa[a]indene-1-carboxamide?
The IUPAC name of N-[[4-(hydroxycarbamoyl)phenyl]methyl]-1,1a,6,6a-tetrahydrocyclopropa[a]indene-1-carboxamide (CID 167873169) is N-[[4-(hydroxycarbamoyl)phenyl]methyl]-1,1a,6,6a-tetrahydrocyclopropa[a]indene-1-carboxamide.
What is the SMILES notation for N-[[4-(hydroxycarbamoyl)phenyl]methyl]-1,1a,6,6a-tetrahydrocyclopropa[a]indene-1-carboxamide?
The canonical SMILES for N-[[4-(hydroxycarbamoyl)phenyl]methyl]-1,1a,6,6a-tetrahydrocyclopropa[a]indene-1-carboxamide is O=C(NO)c1ccc(CNC(=O)C2C3Cc4ccccc4C32)cc1.
What is the InChIKey of N-[[4-(hydroxycarbamoyl)phenyl]methyl]-1,1a,6,6a-tetrahydrocyclopropa[a]indene-1-carboxamide?
The InChIKey is KBZMGBIXMHSVRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3/c22-18(21-24)12-7-5-11(6-8-12)10-20-19(23)17-15-9-13-3-1-2-4-14(13)16(15)17/h1-8,15-17,24H,9-10H2,(H,20,23)(H,21,22).
What are the key properties of N-[[4-(hydroxycarbamoyl)phenyl]methyl]-1,1a,6,6a-tetrahydrocyclopropa[a]indene-1-carboxamide?
N-[[4-(hydroxycarbamoyl)phenyl]methyl]-1,1a,6,6a-tetrahydrocyclopropa[a]indene-1-carboxamide has a molecular weight of 322.36 g/mol, XLogP of 2.01, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(hydroxycarbamoyl)phenyl]methyl]-1,1a,6,6a-tetrahydrocyclopropa[a]indene-1-carboxamide is sourced from PubChem (CID 167873169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).